3-[(4-chlorophenyl)sulfanylmethyl]-N5-(phenylmethyl)-N4-propan-2-yl-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N5-(phenylmethyl)-N4-propan-2-yl-1,2-oxazole-4,5-dicarboxamide Openeye Name: N5-benzyl-3-[(4-chlorophenyl)sulfanylmethyl]-N4-isopropyl-isoxazole-4,5-dicarboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N5-(phenylmethyl)-N4-propan-2-ylisoxazole-4,5-dicarboxamide IUPAC Name: 5-N-benzyl-3-[(4-chlorophenyl)sulfanylmethyl]-4-N-propan-2-yl-1,2-oxazole-4,5-dicarboxamide Traditional Name: N'-benzyl-3-[[(4-chlorophenyl)thio]methyl]-N-isopropyl-isoxazole-4,5-dicarboxamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3S/c1-14(2)25-21(27)19-18(13-30-17-10-8-16(23)9-11-17)26-29-20(19)22(28)24-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,24,28)(H,25,27)